ChemSpider 2D Image | (2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z)-1-octadecen-1-yloxy]propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate | C41H76NO7P

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z)-1-octadecen-1-yloxy]propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate

  • Molecular FormulaC41H76NO7P
  • Average mass726.018 Da
  • Monoisotopic mass725.535950 Da
  • ChemSpider ID24768643

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z)-1-octadecen-1-yloxy]propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate [ACD/IUPAC Name]
(2R)-3-{[(2-Aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z)-1-octadecen-1-yloxy]propyl-(9Z,12Z,15Z)-9,12,15-octadecatrienoat [German] [ACD/IUPAC Name]
(9Z,12Z,15Z)-9,12,15-Octadécatriénoate de (2R)-3-{[(2-aminoéthoxy)(hydroxy)phosphoryl]oxy}-2-[(1Z)-1-octadécén-1-yloxy]propyle [French] [ACD/IUPAC Name]
9,12,15-Octadecatrienoic acid, (2R)-3-[[(2-aminoethoxy)hydroxyphosphinyl]oxy]-2-[(1Z)-1-octadecen-1-yloxy]propyl ester, (9Z,12Z,15Z)- [ACD/Index Name]
(2-aminoethoxy)[(2R)-2-[(1Z)-octadec-1-en-1-yloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]phosphinic acid
1-a-Linolenoyl-2-(1-enyl-stearoyl)-sn-glycero-3-phosphoethanolamine
1-α-Linolenoyl-2-(1-enyl-stearoyl)-sn-glycero-3-phosphoethanolamine
2-aminoethoxy(2R)-2-[(1Z)-octadec-1-en-1-yloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxyphosphinic acid
GPEtn(18:3/18:0)
GPEtn(18:3n3/18:0)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 753.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.4 mmHg at 25°C
Enthalpy of Vaporization: 119.4±6.0 kJ/mol
Flash Point: 409.2±35.7 °C
Index of Refraction: 1.492
Molar Refractivity: 211.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 39
#Rule of 5 Violations: 2
ACD/LogP: 14.63
ACD/LogD (pH 5.5): 9.75
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 346433.53
ACD/LogD (pH 7.4): 9.66
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 280489.44
Polar Surface Area: 127 Å2
Polarizability: 83.7±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 728.0±3.0 cm3

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